SCHEMBL3241822

SCHEMBL3241822

Cc1ccccc1C1c2ccccc2CCN1C(=O)CCC(=O)NCc1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
P2RX7 Q99572 2/20 0.43
EPHX2 P34913 4/20 0.41
TRPM8 Q7Z2W7 5/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
HHAT Q5VTY9 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30795496 1.00 KDM4E (0.44) KDM4EALDH1A1GAAATMNPSR1
SCHEMBL30795891 0.89 HHAT (0.49) TRPM8HDAC3HDAC1HDAC8NCOR2
SCHEMBL3239107 0.89 HHAT (0.49) TRPM8HDAC3HDAC1HDAC8NCOR2
SCHEMBL2308356 0.88 HHAT (0.42) KDM4EALDH1A1GAAATMNPSR1
SCHEMBL3231218 0.85 TRPM8 (0.49) TRPM8HDAC3HDAC1HDAC8NCOR2
SCHEMBL30794383 0.85 TRPM8 (0.49) TRPM8HDAC3HDAC1HDAC8NCOR2
SCHEMBL30795582 0.83 HDAC1 (0.48) NPSR1P2RX7TRPM8HDAC3HDAC1
SCHEMBL3235258 0.83 HDAC1 (0.48) NPSR1P2RX7TRPM8HDAC3HDAC1
SCHEMBL27841345 0.78 ACE (0.52) HDAC3HDAC1HDAC8NCOR2HHAT
SCHEMBL30795440 0.78 HDAC1 (0.42) P2RX7HDAC1HDAC8KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367700-B2 Substituted 4-(1.2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-02-05 US claimed
US-20100152234-A1 Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2010-06-17 US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-8367700-B2 Substituted 4-(1.2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-02-05 US disclosed
US-20100152234-A1 Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2010-06-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152234-A1 Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators KCNAB1, KCNQ2, KCNQ1 KDM4E 310/4885ALDH1A1 2801/4885GAA 3833/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.